University of Cambridge > Talks.cam > RSE Seminars > MPI in TROVE: calculating high temperature line lists for large polyatomic molecules

MPI in TROVE: calculating high temperature line lists for large polyatomic molecules

Add to your list(s) Download to your calendar using vCal

If you have a question about this talk, please contact Jeffrey Salmond.

TROVE is used to calculate high-temperature spectral line lists for large, polyatomic molecules. It was originally designed for large shared-memory supercomputers, but due to the exponential growth of problem sizes for bigger molecules these systems are no longer sufficient, especially in terms of available memory. In this talk I will demonstrate how I ported the code to MPI to make use of scalable commodity-hardware clusters, making larger simulations possible and simultaneously reducing time-to-science through significantly improved performance.

This talk is part of the RSE Seminars series.

Tell a friend about this talk:

This talk is included in these lists:

Note that ex-directory lists are not shown.

 

© 2006-2019 Talks.cam, University of Cambridge. Contact Us | Help and Documentation | Privacy and Publicity